[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate

C15H10F4O3 — CID 97319439

IUPAC[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H10F4O3/c1-7(10-6-9(16)2-3-11(10)17)22-15(21)8-4-12(18)14(20)13(19)5-8/h2-7,20H,1H3/t7-/m1/s1
InChIKeyUFBKEARLFYCLPC-SSDOTTSWSA-N
MW314.23 g/mol
LogP3.87
Rot. Bonds3

About [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate

[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate (PubChem CID 97319439) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate.

Molecular Properties

Compound Name[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate
PubChem CID97319439
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Name[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate
SMILESC[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H10F4O3/c1-7(10-6-9(16)2-3-11(10)17)22-15(21)8-4-12(18)14(20)13(19)5-8/h2-7,20H,1H3/t7-/m1/s1
InChIKeyUFBKEARLFYCLPC-SSDOTTSWSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)ethyl 3-methylsulfonylbenzoate
CID 47065480
1-(2,5-difluorophenyl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55913740
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
propan-2-yl 4-fluoro-3-hydroxybenzoate
CID 146035224
1-(2,4-difluorophenyl)ethyl acetate
CID 141098399
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
2-(2,5-difluorophenyl)propanamide
CID 141213802
methyl 3-fluoro-4,5-dihydroxybenzoate
CID 89407915
[(1R)-1-(2,5-difluorophenyl)ethyl] 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 94646184
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
1-(2,4-difluorophenyl)ethyl 3-(methylsulfonylmethyl)benzoate
CID 51124408
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate?
The IUPAC name of [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate (CID 97319439) is [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate.
What is the SMILES notation for [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate?
The canonical SMILES for [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate is C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F.
What is the InChIKey of [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate?
The InChIKey is UFBKEARLFYCLPC-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H10F4O3/c1-7(10-6-9(16)2-3-11(10)17)22-15(21)8-4-12(18)14(20)13(19)5-8/h2-7,20H,1H3/t7-/m1/s1.
What are the key properties of [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate?
[(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate has a molecular weight of 314.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,5-difluorophenyl)ethyl] 3,5-difluoro-4-hydroxybenzoate is sourced from PubChem (CID 97319439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).